2-Methylthio-2-methylpropionaldoxime

HCID 15436

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Basic information

CAS: 1646-75-9
Standard SMILES: CSC(C)(C)C=NO
InChIKey: ZFGMCJAXIZTVJA-UHFFFAOYSA-N
Molecular formula: C5H11NOS
Average molar mass: 133.21 g/mol
Monoisotopic mass: 133.05613497

Overview

See also: Aldicarb oxime (annotation moved to).

Names & identifiers

Preferred name: 2-Methylthio-2-methylpropionaldoxime
IUPAC: N-(2-methyl-2-methylsulfanylpropylidene)hydroxylamine
English name: ALDICARB-OXIME
Molecular formula: C5H11NOS
Molecular weight: 133.21

Names & synonyms

N-(2-methyl-2-methylsulfanylpropylidene)hydroxylamineSCHEMBL9832743CHEMBL31882822-methylthio-2-methylpropionaldoxime2-Methyl-2(methylthio)-propanaloxim2-methyl-2-(methylthio) propionaldehyde oxime(NZ)-N-(2-methyl-2-methylsulfanylpropylidene)hydroxylamineTemik OximeALDICARB-OXIME2-methyl-2-(methylthio)-propanal oxime2-methyl-2-(methylsulfanyl)propanaldoximePropanal, 2-methyl-2-(methylthio)-, oxime

Show more names

Aldicarb-oxime, 10 μg /μL in acetonitrile2-methyl-2-(methylthio)propionaldehydeoximeLA10079500ALAldicarb-oximE10μg/mLin AcetonitPropionaldehyde, 2-methyl-2-(methylthio)-, oxime.N-[2-methyl-2-(methylsulfanyl)propylidene]hydro xylamine

Database identifiers

CAS: 1646-75-9
PubChem CID: 15436
DTXSID: DTXSID9024431
ChEMBL: CHEMBL3188282

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 57.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 90.4

Physicochemical properties

Melting point: 21.1 °C · 21.1°C
Boiling point: 210 °C · 210°C
Density: 1.037 · 1.037 (estimate)
refractive index: 1.5216 · 1.5216 (estimate)
storage temp.: 0 · 0-6°C
form: liquid
FDA UNII: 44 OY94U09A · 44OY94U09A
EPA Substance Registry System: Aldicarb oxime (1646-75-9)
TSCA: TSCA listed
Hazardous Substances Data: 1646 · 1646-75-9(Hazardous Substances Data)

Safety & regulation

Safety data

tsca: TSCA listed
Hazardous Substances Data: 1646-75-9(Hazardous Substances Data)

Chemistry & industry

Applications · 2 items

UsesTemik Oxime is an intermediate in the synthesis of Aldicarb-d3 Sulfoxide (A514667), which is a labeled Aldicarb Sulfoxide (A514665). Aldicarb Sulfoxide is an analog of Aldicarb (A514650) detected in agricultural products as pesticide residue.

General DescriptionClear colorless,viscous liquid with an unpleasant sulfurous or musty odor.

Upstream & downstream products

Upstream raw materials

Downstream products

ALDICARB

Suppliers17 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

南京维奥化工有限公司Please Send Email 18652950785 · [email protected]

上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]

PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]

Additional notes

DefinitionChEBI: The oxime resulting from the formal condensation of 2-methyl-2-(methylsulfanyl)propanal with hydroxylamine. Addition of the oxime group to methyl isocyanate forms the final step in the synthesis of the systemic insecticide aldicarb.